N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-2-methylbenzenesulfonamide

C17H19ClN2O2S — CID 120722412

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NC1CCCc2cc(N)ccc21
InChIInChI=1S/C17H19ClN2O2S/c1-11-9-13(18)5-8-17(11)23(21,22)20-16-4-2-3-12-10-14(19)6-7-15(12)16/h5-10,16,20H,2-4,19H2,1H3
InChIKeyRRTVIZIJEDADDZ-UHFFFAOYSA-N
MW350.87 g/mol
LogP3.59
Rot. Bonds3

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-2-methylbenzenesulfonamide

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-2-methylbenzenesulfonamide (PubChem CID 120722412) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-2-methylbenzenesulfonamide
PubChem CID120722412
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NC1CCCc2cc(N)ccc21
InChIInChI=1S/C17H19ClN2O2S/c1-11-9-13(18)5-8-17(11)23(21,22)20-16-4-2-3-12-10-14(19)6-7-15(12)16/h5-10,16,20H,2-4,19H2,1H3
InChIKeyRRTVIZIJEDADDZ-UHFFFAOYSA-N
XLogP3.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 120722173
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
CID 120722095
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 120722427
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide
CID 120721939
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4,6-trimethylbenzenesulfonamide
CID 120722170
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride
CID 120722180
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 120722372
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-cyano-3-methylbenzenesulfonamide;hydrochloride
CID 120722480
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 120722144
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide
CID 79723808
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722353
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methyl-4-nitrobenzenesulfonamide
CID 120721988

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-2-methylbenzenesulfonamide?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-2-methylbenzenesulfonamide (CID 120722412) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-2-methylbenzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)NC1CCCc2cc(N)ccc21.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-2-methylbenzenesulfonamide?
The InChIKey is RRTVIZIJEDADDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-11-9-13(18)5-8-17(11)23(21,22)20-16-4-2-3-12-10-14(19)6-7-15(12)16/h5-10,16,20H,2-4,19H2,1H3.
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-2-methylbenzenesulfonamide?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-2-methylbenzenesulfonamide has a molecular weight of 350.87 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 120722412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).